{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.004226 0.759245 0.344223 ] [ 0.995774 0.259245 0.655777 ] [ 0.195567 0.802385 0.87268 ] [ 0.7935 0.8012 0.872639 ] [ 0.804433 0.302385 0.12732 ] [ 0.2065 0.3012 0.127361 ] [ 0.496687 0.592414 0.990758 ] [ 0.503313 0.092414 0.009242 ] [ 0.480062 0.448129 0.395753 ] [ 0.519938 0.948129 0.604247 ] [ 0.991634 0.851929 0.790619 ] [ 0.008366 0.351929 0.209381 ] [ 0.498349 0.727601 0.031303 ] [ 0.501651 0.227601 0.968697 ] [ 0.49472 0.520464 0.52648 ] [ 0.50528 0.020464 0.47352 ] ] } "species" { "source-value" [ "Ba" "Ba" "H" "H" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.9890303632 "source-unit" "angstrom" } "b" { "source-value" 7.00694638 "source-unit" "angstrom" } "c" { "source-value" 6.38820043308 "source-unit" "angstrom" } "beta" { "source-value" 90.8005957193 "source-unit" "degree" } }